2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one

C14H16F2O2S — CID 155951367

IUPAC2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one
SMILESCC(Sc1ccc(F)cc1F)C(=O)C1CCOCC1
InChIInChI=1S/C14H16F2O2S/c1-9(14(17)10-4-6-18-7-5-10)19-13-3-2-11(15)8-12(13)16/h2-3,8-10H,4-7H2,1H3
InChIKeyZCUMTTDIVJBOAF-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.44
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one

2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one (PubChem CID 155951367) has the molecular formula C14H16F2O2S and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one
PubChem CID155951367
Molecular FormulaC14H16F2O2S
Molecular Weight286.34 g/mol
Exact Mass286.08
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one
SMILESCC(Sc1ccc(F)cc1F)C(=O)C1CCOCC1
InChIInChI=1S/C14H16F2O2S/c1-9(14(17)10-4-6-18-7-5-10)19-13-3-2-11(15)8-12(13)16/h2-3,8-10H,4-7H2,1H3
InChIKeyZCUMTTDIVJBOAF-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one (CID 155951367) is 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one is CC(Sc1ccc(F)cc1F)C(=O)C1CCOCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one?
The InChIKey is ZCUMTTDIVJBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2S/c1-9(14(17)10-4-6-18-7-5-10)19-13-3-2-11(15)8-12(13)16/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one?
2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one has a molecular weight of 286.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-1-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 155951367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).